N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyridine-3-sulfonamide
Chemical Structure Depiction of
N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyridine-3-sulfonamide
N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyridine-3-sulfonamide
Compound characteristics
| Compound ID: | S638-0721 |
| Compound Name: | N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyridine-3-sulfonamide |
| Molecular Weight: | 323.37 |
| Molecular Formula: | C13 H17 N5 O3 S |
| Smiles: | CN1C(N2CCC(CCC2=N1)NS(c1cccnc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5886 |
| logD: | 0.5882 |
| logSw: | -1.7889 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.489 |
| InChI Key: | CFMZFOQMUODBAO-JTQLQIEISA-N |